SCHEMBL3250608

SCHEMBL3250608

CN(C)CCCNS(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(C(=O)O)c3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.53
KDM4E B2RXH2 4/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.40
PARP1 P09874 2/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3249820 0.89 BRAF (0.49) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3249998 0.87 POLB (0.47) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL4162498 0.86 BRAF (0.50) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3250948 0.83 KDM4E (0.46) KDM4EPOLBTDP1L3MBTL1HSD17B10
SCHEMBL3252130 0.82 TAS2R14 (0.50) KDM4EPOLBTDP1L3MBTL1HSD17B10
SCHEMBL3246175 0.82 BRAF (0.48) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3249264 0.82 POLB (0.49) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL13950899 0.80 BRAF (0.46) BRAFKDM4EPOLBTDP1L3MBTL1
SCHEMBL3249262 0.80 KDM4E (0.43) KDM4EPOLBTDP1L3MBTL1HSD17B10
SCHEMBL3250055 0.80 POLB (0.43) KDM4EPOLBTDP1L3MBTL1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP claimed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO claimed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed
EP-1899335-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2008-03-19 EP disclosed
WO-2007003611-A1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2007-01-11 WO disclosed